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Electron Ordering in Cs 2 SbCl 6 Crystals
Author(s) -
Ionov S. P.,
Ionova G. V.,
Makarov E. F.,
Yu. Aleksandrov A.
Publication year - 1974
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220640110
Subject(s) - electron , lattice (music) , hamiltonian (control theory) , chemistry , condensed matter physics , paramagnetism , electron localization function , charge density , crystallography , physics , quantum mechanics , mathematics , mathematical optimization , acoustics
Below T c = 77 °K two kinds of Sb complexes exist (SbCl 3− 6 ‐and SbCl 1− 6 ) in Cs 2 SbCl 6 crystals. Above this temperature the electron pairs begin to delocalize. This phenomenon is investigated on the basis of an Hamiltonian that incorporates the intra‐site and inter‐site interactions. It is found that, within a Hartree approximation that treats both the electron correlations (intra‐site and inter‐site ones), the low‐temperature state is insulating. It is characterized by a charge‐density wave in which alternate complexes are doubly occupied. This chargeordered state has the lattice distortion that doubles the primitive cell. The high‐temperature disordered state is insulating too. In this case the energy gap is caused by a statistical distribution of electron pairs. Apparently the high‐temperature paramagnetic state cannot be reached when the electron pairs decouple as the compound decomposes or converts into another chemical modification.